4-(4-phenylmethoxyphenyl)-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-phenylmethoxyphenyl)-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-benzylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-phenylmethoxyphenyl)-2-(phenylmethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-(benzylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C30H26N2OS MolecularWeight: 462.60524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H26N2OS/c31-19-27-29(24-15-17-25(18-16-24)33-20-22-9-3-1-4-10-22)26-13-7-8-14-28(26)32-30(27)34-21-23-11-5-2-6-12-23/h1-6,9-12,15-18H,7-8,13-14,20-21H2